Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q96HD1
UPID:
CREL1_HUMAN
Alternative names:
Cysteine-rich with EGF-like domain protein 1
Alternative UPACC:
Q96HD1; A8MX90; B2RAA9; Q6I9X5; Q8NFT4; Q9Y409
Background:
Protein disulfide isomerase CRELD1, also known as Cysteine-rich with EGF-like domain protein 1, plays a crucial role in protein folding through its isomerase activity. By promoting the localization of acetylcholine receptors to the plasma membrane, CRELD1 is pivotal in cellular signaling and communication.
Therapeutic significance:
CRELD1's association with Atrioventricular septal defect 2, a congenital heart malformation, underscores its potential as a therapeutic target. Understanding CRELD1's role could pave the way for innovative treatments for heart defects, enhancing patient outcomes.